Orca 4.2.1 RELEASE 1 2 3 4 5 14s9p3d1f 11s6p2d1f 11s6p2d1f 11s6p2d1f 5s2p1d 5s5p3d1f 5s3p2d1f 5s3p2d1f 5s3p2d1f 3s2p1d 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 1 2 3 4 4 4 4 4 4 4 4 4 4 4 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 5 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.8954,.4375,1.2115;-2.1603,.3319,-2.5441;-1.9528,-.252,-.3355;2.2848,-1.5843,-.499;.8531,-1.217,-.8813;2.648,-1.3266,.9631;-.2006,-1.9953,-.1063;2.4136,.1048,1.4432;-1.6286,-1.6586,-.5086;3.142,1.1829,.6449;4.6571,1.0423,.668;-2.1305,.6463,-1.3563;-2.2832,1.9754,-.7871;-2.1691,1.993,.5499;2.9718,-1.0337,-1.1482;2.4541,-2.6427,-.7197;.7145,-1.3985,-1.9513;.7029,-.1421,-.7399;3.6974,-1.597,1.1106;2.0838,-2.0054,1.609;-.0795,-1.8418,.9702;-.0655,-3.0679,-.2707;2.7203,.1741,2.4918;1.3407,.3229,1.437;-2.3388,-2.2603,.0612;-1.7943,-1.8844,-1.5611;2.7913,1.1845,-.3915;2.8676,2.1603,1.0505;5.036,1.0296,1.6922;4.9923,.1235,.1842;5.1394,1.8728,.1507;-2.4609,2.8469,-1.3981;-2.2387,2.8449,1.2101; Method DFT(GTOs) Exchange WB97X-D3 Correlation WB97X-D3 PostSCFGGA off Hybrid DFT is turned on ScalHFX 0.195728 ScalDFX 0.000000 ScalDFC 1.000000 ScalLDAC 1.000000 Perturbative correction 0.000000 Density functional embedding theory OFF Long-range corrected/Screened/Range-Separated Hybrid DFT is turned on Amount of maximum screened exact exchange 0.804272 Range separation parameter mu (erf(mu*r12)/r12) 0.250000 RI-approximation to the Coulomb term is turned on Number of auxiliary basis functions 897 RIJ-COSX (HFX calculated with COS-X)) on IntName inp HFTyp RHF Charge 0 Mult 1 NEL 116 Dim 711 ENuc 1049.1627127469 Eh CNVDIIS on DIISMaxIt 12 DIISStart 0.200000 DIISMaxEq 5 DIISBfac 1.050 DIISMaxC 10.000 CNVNR off CNVSOSCF off CNVShift on LevelShift 0.2500 ShiftErr 0.0010 CNVZerner off CNVDamp on DampFac 0.7000 DampMax 0.9800 DampMin 0.0000 DampErr 0.1000 CNVRico off MaxIter 125 SCFMode Direct Integral package LIBINT DirectResetFreq 20 Thresh 3.000e-11 Eh TCut 1.000e-12 Eh ConvCheckMode Total+1el-Energy ConvForced 0 TolE 1.000e-07 Eh 1-El. energy change 1.000e-04 Eh TolErr 1.000e-07 Smallest eigenvalue 4.967e-05 Time for diagonalization 0.168 sec Threshold for overlap eigenvalues 1.000e-08 Number of eigenvalues below threshold 0 Time for construction of square roots 0.115 sec Total time needed 0.285 sec 16 8 7 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.8954,.4375,1.2115;-2.1603,.3319,-2.5441;-1.9528,-.252,-.3355;2.2848,-1.5843,-.499;.8531,-1.217,-.8813;2.648,-1.3266,.9631;-.2006,-1.9953,-.1063;2.4136,.1048,1.4432;-1.6286,-1.6586,-.5086;3.142,1.1829,.6449;4.6571,1.0423,.668;-2.1305,.6463,-1.3563;-2.2832,1.9754,-.7871;-2.1691,1.993,.5499;2.9718,-1.0337,-1.1482;2.4541,-2.6427,-.7197;.7145,-1.3985,-1.9513;.7029,-.1421,-.7399;3.6974,-1.597,1.1106;2.0838,-2.0054,1.609;-.0795,-1.8418,.9702;-.0655,-3.0679,-.2707;2.7203,.1741,2.4918;1.3407,.3229,1.437;-2.3388,-2.2603,.0612;-1.7943,-1.8844,-1.5611;2.7913,1.1845,-.3915;2.8676,2.1603,1.0505;5.036,1.0296,1.6922;4.9923,.1235,.1842;5.1394,1.8728,.1507;-2.4609,2.8469,-1.3981;-2.2387,2.8449,1.2101; 0 1 wb97x-d3 def2-TZVPP def2/J RIJCOSX GRIDX6 NOFINALGRIDX grid4 nofinalgrid scfconv7 smallprint printgap noloewdin NOSOSCF MaxCore 8000 %output print[P_BondOrder_M] 1 print[P_Mayer] 1 print[P_basis] 2 pal nprocs 8 cpcm smd true smdsolvent "WATER" 194.18879999999996 AuxInfo=1/0/N:11,10,8,6,4,5,7,13,9,14,12,3,2,1/CRV:8.3,10.3,11.3,13.1/rA:33nSO1NCCCCCCCCC3C3C3HHHHHHHHHHHHHHHHHHH/rB:;s1;;s4;s4;s5;s6;s3s7;s8;s10;s2s3;s12;s1s13;s4;s4;s5;s5;s6;s6;s7;s7;s8;s8;s9;s9;s10;s10;s11;s11;s11;s13;s14;/rC:-1.8954,.4375,1.2115;-2.1603,.3319,-2.5441;-1.9528,-.252,-.3355;2.2848,-1.5843,-.499;.8531,-1.217,-.8813;2.648,-1.3266,.9631;-.2006,-1.9953,-.1063;2.4136,.1048,1.4432;-1.6286,-1.6586,-.5086;3.142,1.1829,.6449;4.6571,1.0423,.668;-2.1305,.6463,-1.3563;-2.2832,1.9754,-.7871;-2.1691,1.993,.5499;2.9718,-1.0337,-1.1482;2.4541,-2.6427,-.7197;.7145,-1.3985,-1.9513;.7029,-.1421,-.7399;3.6974,-1.597,1.1106;2.0838,-2.0054,1.609;-.0795,-1.8418,.9702;-.0655,-3.0679,-.2707;2.7203,.1741,2.4918;1.3407,.3229,1.437;-2.3388,-2.2603,.0612;-1.7943,-1.8844,-1.5611;2.7913,1.1845,-.3915;2.8676,2.1603,1.0505;5.036,1.0296,1.6922;4.9923,.1235,.1842;5.1394,1.8728,.1507;-2.4609,2.8469,-1.3981;-2.2387,2.8449,1.2101; Epsilon 78.3550 Refrac 1.0000 Rsolv 1.3000 Surface type GEPOL SES Epsilon function type CPCM S O N C H 2.4900 1.5200 1.8900 1.8500 1.2000 Solvent: WATER Soln 1.3328 Soln25 1.3323 Sola 0.0000 Solb 0.0000 Solg 0.0000 Solc 0.0000 Solh 0.0000 Calculating surface done! ( 0.4s) GEPOL surface points 1345 GEPOL Volume 1743.0211 GEPOL Surface-area 888.4608 Calculating surface distance matrix done! ( 0.0s) Performing Cholesky decomposition & store done! ( 0.2s) Overall time for CPCM initialization 0.6s -958.85414921 1049.16271275 -2008.01686195 -3392.71368946 1384.69682751 -0.02607525 -1914.37478275 955.52063355 2.00348869 58.000061235025 58.000061235025 116.000122470051 -75.352742126391 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336 337 338 339 340 341 342 343 344 345 346 347 348 349 350 351 352 353 354 355 356 357 358 359 360 361 362 363 364 365 366 367 368 369 370 371 372 373 374 375 376 377 378 379 380 381 382 383 384 385 386 387 388 389 390 391 392 393 394 395 396 397 398 399 400 401 402 403 404 405 406 407 408 409 410 411 412 413 414 415 416 417 418 419 420 421 422 423 424 425 426 427 428 429 430 431 432 433 434 435 436 437 438 439 440 441 442 443 444 445 446 447 448 449 450 451 452 453 454 455 456 457 458 459 460 461 462 463 464 465 466 467 468 469 470 471 472 473 474 475 476 477 478 479 480 481 482 483 484 485 486 487 488 489 490 491 492 493 494 495 496 497 498 499 500 501 502 503 504 505 506 507 508 509 510 511 512 513 514 515 516 517 518 519 520 521 522 523 524 525 526 527 528 529 530 531 532 533 534 535 536 537 538 539 540 541 542 543 544 545 546 547 548 549 550 551 552 553 554 555 556 557 558 559 560 561 562 563 564 565 566 567 568 569 570 571 572 573 574 575 576 577 578 579 580 581 582 583 584 585 586 587 588 589 590 591 592 593 594 595 596 597 598 599 600 601 602 603 604 605 606 607 608 609 610 611 612 613 614 615 616 617 618 619 620 621 622 623 624 625 626 627 628 629 630 631 632 633 634 635 636 637 638 639 640 641 642 643 644 645 646 647 648 649 650 651 652 653 654 655 656 657 658 659 660 661 662 663 664 665 666 667 668 669 670 671 672 673 674 675 676 677 678 679 680 681 682 683 684 685 686 687 688 689 690 691 692 693 694 695 696 697 698 699 700 701 702 703 704 705 706 707 708 709 710 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 2.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -2422.1092 -522.5648 -394.1696 -282.6755 -281.1142 -280.6271 -279.9588 -279.4251 -279.2352 -279.1489 -279.1428 -279.1049 -279.0929 -278.9450 -220.5273 -164.9037 -164.7294 -164.6168 -31.7831 -29.6578 -26.0956 -25.2025 -24.3267 -23.4399 -23.2574 -22.1246 -21.0006 -20.0884 -19.4108 -18.7994 -18.0038 -17.4050 -16.5522 -15.9677 -15.7669 -15.4212 -15.2840 -14.7215 -14.4889 -14.4303 -14.0674 -13.8689 -13.3931 -13.1377 -12.7910 -12.7753 -12.5139 -12.3205 -11.9454 -11.7659 -11.4859 -11.4548 -10.8463 -10.6419 -10.6011 -10.1602 -10.0705 -8.5554 0.9656 1.6788 3.2197 3.4695 3.6393 3.8112 4.0377 4.3209 4.4028 4.5766 4.6776 4.8226 5.1692 5.2544 5.4796 5.6374 5.6714 5.8106 5.9186 6.1835 6.4977 6.5776 6.6259 6.7928 6.8477 6.9380 7.2646 7.4598 7.5917 7.8323 7.9411 8.0297 8.1800 8.3579 8.4846 8.6785 8.8660 8.9958 9.2011 9.2739 9.4068 9.6887 9.8977 10.0585 10.1626 10.4361 10.7120 10.8717 11.1063 11.2623 11.4178 11.5088 11.7590 12.0423 12.3150 12.4642 12.7196 12.9165 13.0475 13.2036 13.3658 13.5886 13.6527 13.7987 13.8393 13.9366 13.9782 14.1302 14.2347 14.4190 14.5014 14.5486 14.6477 14.7639 14.9943 15.0038 15.0366 15.1244 15.2655 15.3293 15.6204 15.6914 15.8424 16.1883 16.2439 16.4194 16.5366 16.6860 16.8070 17.1334 17.3665 17.7263 17.9940 18.1199 18.2883 18.4627 18.8134 18.9921 19.2242 19.4861 19.6013 19.7171 20.1727 20.3646 20.7300 20.8025 21.2729 21.3383 21.6724 22.0679 22.2432 22.6029 22.7634 23.1865 23.4078 23.5807 23.7556 23.8805 24.1908 24.2157 24.6735 25.0739 25.2189 25.6734 25.8922 26.1487 26.3806 26.5893 26.7010 26.8237 27.0810 27.3744 27.4463 27.8661 28.0005 28.1316 28.3751 28.4193 28.9771 29.1025 29.5189 29.6032 29.7135 30.3620 30.4387 30.7153 30.8754 31.0396 31.0994 31.4296 31.5796 31.9324 32.0530 32.1066 32.3955 32.5255 32.6866 32.7940 33.0211 33.1511 33.2911 33.6476 33.8578 33.9466 34.2445 34.6854 34.8298 35.0539 35.1667 35.2307 35.5435 35.7735 36.0439 36.2438 36.4475 36.5409 36.7436 37.1056 37.3705 37.7321 37.8066 38.0957 38.4005 38.5163 38.7942 39.0966 39.2781 39.4941 39.6747 40.0561 40.1659 40.5712 40.6584 40.8394 41.0912 41.3278 41.6267 41.9156 41.9949 42.0993 42.3119 42.4226 42.7069 42.8167 42.9100 43.0736 43.3966 43.4606 43.5845 43.7952 43.7994 44.1341 44.3486 44.4192 44.5671 44.6693 44.8369 45.1169 45.2707 45.4557 45.5233 45.9803 46.1810 46.4110 46.6784 46.8674 47.0537 47.1309 47.5525 47.6977 48.3450 48.4455 48.8640 49.0410 49.4591 49.5643 49.7280 49.9858 50.4917 50.8263 51.1844 51.3425 51.4613 51.7175 51.9228 52.3401 52.4394 53.0724 53.4218 53.6591 54.2111 54.7038 55.1314 55.5636 55.7719 56.2928 56.7667 57.4317 57.8351 58.2622 58.9138 59.2487 59.4514 59.5457 59.8629 60.6059 60.8717 61.0104 61.2063 61.4950 62.0347 62.2458 62.3551 62.5779 63.2324 63.8750 64.1671 64.4274 64.8450 65.6672 66.4347 67.3071 67.6043 68.0274 68.2833 68.8237 68.9743 69.5424 69.6657 70.6766 70.9002 71.0245 71.3527 71.6677 71.7911 72.0638 72.3879 72.5590 72.8262 73.0194 73.1111 73.2628 73.6897 74.2022 74.3870 74.4672 74.8507 75.3598 75.6906 75.9108 76.1394 76.2792 76.4158 77.0029 77.4032 77.5825 77.8875 78.4394 78.6295 78.8888 79.5184 79.6560 80.1078 80.2518 80.3151 80.3920 81.0499 81.1686 81.2996 81.7515 82.0551 82.1403 82.3394 82.7315 82.7601 82.8858 83.2949 83.6491 83.7605 84.3128 84.3640 84.8123 85.1589 85.3605 85.3998 85.6473 86.1686 86.4767 86.5640 86.7136 86.8542 87.0043 87.2201 87.3258 87.4960 87.5521 87.9377 88.1081 88.1430 88.5494 88.6572 88.8441 89.0700 89.1629 89.3001 89.4047 89.6785 89.8345 89.9981 90.1743 90.2285 90.4275 90.7137 90.8059 90.9279 90.9567 91.2530 91.5455 91.7072 92.0508 92.3520 92.4882 92.6671 93.1049 93.1276 93.5703 93.6717 94.1608 94.3569 94.4573 94.9657 95.0537 95.2738 95.4552 95.9136 95.9640 96.2250 96.4559 97.0749 97.3398 97.4562 97.5525 97.6349 98.0046 98.3259 98.4787 99.0157 99.4108 99.5025 99.6293 100.2276 100.3904 100.7681 100.9588 101.4727 101.6769 101.8508 101.9907 102.4608 102.4939 102.8445 103.0281 103.2768 103.5457 103.9797 104.1136 104.2463 104.3232 104.5774 104.7167 104.8175 105.1894 105.2530 105.6030 106.0824 106.2010 106.6399 107.0031 107.2480 107.5804 107.8012 108.0483 108.2722 108.5291 108.7474 108.9623 109.2215 109.3197 109.6080 110.0572 110.1795 110.2129 110.3264 110.8235 110.9407 111.3340 111.5967 111.7365 111.9611 112.1147 112.4250 112.8021 112.9538 113.1936 113.3070 113.7259 113.8439 114.0536 114.2440 114.5551 114.7218 114.8474 115.0997 115.2858 115.4669 115.8128 115.9703 116.2983 116.4403 116.7693 117.0276 117.2203 117.5477 117.7577 118.0027 118.3222 118.7924 118.7973 118.9515 119.3176 119.5242 119.7223 119.9871 120.1965 120.4288 120.8338 121.2225 121.3146 121.5909 121.9375 122.0735 122.2472 122.4643 122.6839 122.7613 123.0926 123.3377 123.6616 123.8827 124.3488 124.4574 124.7596 125.1519 125.6185 126.1416 126.3928 126.6873 127.0923 127.3732 128.1003 128.1786 128.4382 129.4364 129.7130 129.7801 129.9112 130.1938 130.3377 130.5817 130.9475 131.1302 131.2821 131.7301 131.9888 132.8708 133.0161 133.8531 133.9506 134.0696 134.8158 135.1375 135.5716 135.6829 135.8671 136.3469 136.6020 136.7463 136.9521 137.1932 137.3656 137.6611 138.2715 138.6497 138.7393 138.9491 139.2716 139.7961 139.9274 140.5092 140.6805 141.0901 141.4838 141.7083 141.8095 142.4568 142.7030 142.8896 143.2084 144.0011 144.8121 145.2017 145.8880 146.0935 146.6347 147.1680 147.2532 147.6750 148.5004 148.7360 148.9426 149.2031 149.5659 149.8254 149.9790 150.1431 150.9301 151.1633 151.3966 152.0261 152.1419 152.8093 153.3456 153.5489 153.7739 153.8899 154.1727 154.3064 154.5583 154.7381 155.0803 155.3422 155.4145 155.7253 156.2661 156.9278 157.0727 157.5530 157.7547 158.1493 158.7860 159.1259 159.6790 159.7764 159.9614 160.0977 160.2467 160.5357 161.3142 161.4722 161.7572 162.5832 165.2580 167.4212 170.6549 176.7520 176.9053 182.2463 186.6902 187.5713 188.6035 188.8684 191.1363 193.5477 195.4528 197.7108 207.1605 245.7535 260.2742 260.5358 553.2026 618.0603 637.0105 638.2802 639.5999 640.3740 641.2612 643.0189 643.6890 644.1261 644.5640 647.4593 895.7912 1199.3529 0.0000000 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 0.116583 -0.586583 -0.071072 -0.161961 -0.104104 -0.171484 -0.143843 -0.113919 -0.087683 -0.116221 -0.275416 0.326167 -0.267185 -0.055664 0.081198 0.079938 0.086325 0.055067 0.084302 0.082192 0.077407 0.086245 0.079935 0.041723 0.132731 0.102292 0.058813 0.072307 0.081790 0.076356 0.093334 0.162288 0.178143 0 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 S O N C C C C C C C C C C C H H H H H H H H H H H H H H H H H H H 15.8834 8.5866 7.0711 6.1620 6.1041 6.1715 6.1438 6.1139 6.0877 6.1162 6.2754 5.6738 6.2672 6.0557 0.9188 0.9201 0.9137 0.9449 0.9157 0.9178 0.9226 0.9138 0.9201 0.9583 0.8673 0.8977 0.9412 0.9277 0.9182 0.9236 0.9067 0.8377 0.8219 16.0000 8.0000 7.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 6.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 1.0000 0.1166 -0.5866 -0.0711 -0.1620 -0.1041 -0.1715 -0.1438 -0.1139 -0.0877 -0.1162 -0.2754 0.3262 -0.2672 -0.0557 0.0812 0.0799 0.0863 0.0551 0.0843 0.0822 0.0774 0.0862 0.0799 0.0417 0.1327 0.1023 0.0588 0.0723 0.0818 0.0764 0.0933 0.1623 0.1781 2.5519 1.9130 3.0820 3.9049 3.8172 3.8715 3.8486 3.8655 3.8222 3.8822 3.9369 4.1793 3.9125 3.9727 1.0008 1.0096 1.0177 1.0128 1.0013 1.0040 1.0022 1.0211 1.0103 1.0248 1.0002 1.0289 1.0041 1.0075 1.0006 0.9997 1.0047 0.9981 0.9825 2.5519 1.9130 3.0820 3.9049 3.8172 3.8715 3.8486 3.8655 3.8222 3.8822 3.9369 4.1793 3.9125 3.9727 1.0008 1.0096 1.0177 1.0128 1.0013 1.0040 1.0022 1.0211 1.0103 1.0248 1.0002 1.0289 1.0041 1.0075 1.0006 0.9997 1.0047 0.9981 0.9825 -0.0000 -0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 0.0000 -0.0000 -0.0000 -0.0000 0.0000 -0.0000 0.0000 0.0000 -0.0000 0.0000 0.0000 0.0000 0.0000 1.0048 1.2372 1.7733 0.8591 1.1883 0.9329 0.9203 1.0157 1.0079 0.8914 1.0010 1.0075 0.9247 1.0099 1.0072 0.9238 1.0256 0.9947 0.9391 1.0082 1.0042 1.0027 0.9960 0.9357 1.0033 1.0040 0.9947 0.9911 0.9978 1.1212 1.7221 0.9678 0.9369 0 2 0 13 1 11 2 8 2 11 3 4 3 5 3 14 3 15 4 6 4 16 4 17 5 7 5 18 5 19 6 8 6 20 6 21 7 9 7 22 7 23 8 24 8 25 9 10 9 26 9 27 10 28 10 29 10 30 11 12 12 13 12 31 13 32 -0.015054875 -958.869204081232 27.01625 -26.68456 0.33168 -5.02783 5.12737 0.09954 3.57672 -1.32050 2.25621 2.28263 5.80200